2-bromo-N-(oxolan-2-ylmethyl)benzamide

C12H14BrNO2 — CID 532185

IUPAC2-bromo-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccccc1Br
InChIInChI=1S/C12H14BrNO2/c13-11-6-2-1-5-10(11)12(15)14-8-9-4-3-7-16-9/h1-2,5-6,9H,3-4,7-8H2,(H,14,15)
InChIKeyAMXQJNHGAOPECX-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.36
Rot. Bonds3

About 2-bromo-N-(oxolan-2-ylmethyl)benzamide

2-bromo-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 532185) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 2-bromo-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(oxolan-2-ylmethyl)benzamide
PubChem CID532185
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name2-bromo-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccccc1Br
InChIInChI=1S/C12H14BrNO2/c13-11-6-2-1-5-10(11)12(15)14-8-9-4-3-7-16-9/h1-2,5-6,9H,3-4,7-8H2,(H,14,15)
InChIKeyAMXQJNHGAOPECX-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-bromo-N-(oxolan-2-ylmethyl)benzamide (CID 532185) is 2-bromo-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-bromo-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-bromo-N-(oxolan-2-ylmethyl)benzamide is O=C(NCC1CCCO1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is AMXQJNHGAOPECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c13-11-6-2-1-5-10(11)12(15)14-8-9-4-3-7-16-9/h1-2,5-6,9H,3-4,7-8H2,(H,14,15).
What are the key properties of 2-bromo-N-(oxolan-2-ylmethyl)benzamide?
2-bromo-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 284.15 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 532185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).